MMs01688687 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7548 -1.2963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2548 -1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -2.5981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2922 -1.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 -3.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 -3.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 -6.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2261 -6.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9809 -5.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 -3.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4809 -5.2127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2356 -3.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4904 -2.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7356 -3.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7452 -1.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 -0.0331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7452 -1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2451 -1.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9904 -2.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9713 -7.8052 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 0.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6038 1.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -0.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 -2.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4548 -1.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2503 -0.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2191 -5.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1223 -7.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8395 -2.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0770 -6.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5229 -5.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8617 -4.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8288 -0.5491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8231 -2.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3738 0.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7127 1.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6038 1.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1165 -3.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7777 -3.8122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4904 -2.6256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 M END